1-O-sinapoyl-β-D-glucose

Chemical Formula:

C₁₇H₂₂O₁₀

Molecular Weight:

386.355 Daltons

Monoisotopic Mass:

386.1212969272 Daltons

SMILES:

COC2(=CC(C=CC(=O)OC1(C(O)C(C(C(O1)CO)O)O))=CC(=C(O)2)OC)

InChI:

1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1

InChIKey:

XRKBRPFTFKKHEF-DGDBGZAXSA-N

Synonyms

1-O-sinapoyl β-D-glucoside

Databases

MetaCyc: 1-O-SINAPOYL-BETA-D-GLUCOSE

MetaboLights: MTBLC16546

ChemSpider: 4444086

PubChem (CID): 5280406

KEGG: C01175

ChEBI: 16546

RefMet: 1-O-Sinapoyl-beta-D-glucose

Seed: cpd00865

MetaNetX: MNXM1304

NIKKAJI: J613.283I

PDB-CCD: SGS

KNApSAcK: C00013592

PupChem (SID): 4402